3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one

C8H7NO2 — CID 145152726

IUPAC3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one
SMILESO=c1[nH]c2c(o1)=CC1CC1C=2
InChIInChI=1S/C8H7NO2/c10-8-9-6-2-4-1-5(4)3-7(6)11-8/h2-5H,1H2,(H,9,10)
InChIKeyVOBXAOOHKSYRET-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.82
Rot. Bonds

About 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one

3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one (PubChem CID 145152726) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one.

Molecular Properties

Compound Name3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one
PubChem CID145152726
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one
SMILESO=c1[nH]c2c(o1)=CC1CC1C=2
InChIInChI=1S/C8H7NO2/c10-8-9-6-2-4-1-5(4)3-7(6)11-8/h2-5H,1H2,(H,9,10)
InChIKeyVOBXAOOHKSYRET-UHFFFAOYSA-N
XLogP-0.82
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one?
The IUPAC name of 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one (CID 145152726) is 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one.
What is the SMILES notation for 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one?
The canonical SMILES for 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one is O=c1[nH]c2c(o1)=CC1CC1C=2.
What is the InChIKey of 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one?
The InChIKey is VOBXAOOHKSYRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8-9-6-2-4-1-5(4)3-7(6)11-8/h2-5H,1H2,(H,9,10).
What are the key properties of 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one?
3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one has a molecular weight of 149.15 g/mol, XLogP of -0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,5a-tetrahydrocyclopropa[f][1,3]benzoxazol-2-one is sourced from PubChem (CID 145152726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).